USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot -120:sc= 0.126 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.0772 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 99:sc= 1.16 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 37 ASN : amide:sc= -0.125 K(o=-0.12,f=-12!) USER MOD Single : A 40 GLN : amide:sc= -1.88! C(o=-1.9!,f=-9.6!) USER MOD Single : A 44 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.14) USER MOD Single : A 45 SER OG : rot 180:sc= 0.039 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 153:sc= 0 (180deg=-0.242) USER MOD Single : A 54 GLN : amide:sc= 1.08 K(o=1.1,f=-8.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.00236 X(o=0.0024,f=-0.029) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.2 X(o=-1.2,f=-1) USER MOD Single : A 79 GLN : amide:sc= 0.412 X(o=0.41,f=-0.013) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -65:sc= 1.29 USER MOD Single : A 85 SER OG : rot 98:sc= -0.0126 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.850 -11.127 -10.057 1.00 6.70 N ATOM 2 CA MET A 1 -0.617 -10.551 -8.717 1.00 6.30 C ATOM 3 C MET A 1 0.003 -9.166 -8.847 1.00 5.83 C ATOM 4 O MET A 1 0.746 -8.898 -9.790 1.00 6.14 O ATOM 5 CB MET A 1 0.286 -11.482 -7.886 1.00 6.81 C ATOM 6 CG MET A 1 1.767 -11.105 -7.887 1.00 7.17 C ATOM 7 SD MET A 1 2.371 -10.642 -6.251 1.00 7.86 S ATOM 8 CE MET A 1 3.295 -9.157 -6.643 1.00 8.54 C ATOM 0 H1 MET A 1 -1.273 -12.072 -9.960 1.00 6.70 H new ATOM 0 H2 MET A 1 -1.496 -10.512 -10.592 1.00 6.70 H new ATOM 0 H3 MET A 1 0.055 -11.203 -10.564 1.00 6.70 H new ATOM 0 HA MET A 1 -1.571 -10.454 -8.199 1.00 6.30 H new ATOM 0 HB2 MET A 1 -0.072 -11.489 -6.857 1.00 6.81 H new ATOM 0 HB3 MET A 1 0.184 -12.499 -8.266 1.00 6.81 H new ATOM 0 HG2 MET A 1 2.351 -11.946 -8.260 1.00 7.17 H new ATOM 0 HG3 MET A 1 1.926 -10.276 -8.576 1.00 7.17 H new ATOM 0 HE1 MET A 1 4.181 -9.102 -6.010 1.00 8.54 H new ATOM 0 HE2 MET A 1 3.598 -9.183 -7.690 1.00 8.54 H new ATOM 0 HE3 MET A 1 2.669 -8.282 -6.468 1.00 8.54 H new ATOM 20 N GLY A 2 -0.311 -8.291 -7.907 1.00 5.41 N ATOM 21 CA GLY A 2 0.211 -6.945 -7.945 1.00 5.21 C ATOM 22 C GLY A 2 -0.441 -6.062 -6.908 1.00 4.76 C ATOM 23 O GLY A 2 0.212 -5.612 -5.964 1.00 5.03 O ATOM 0 H GLY A 2 -0.921 -8.491 -7.115 1.00 5.41 H new ATOM 0 HA2 GLY A 2 1.288 -6.968 -7.778 1.00 5.21 H new ATOM 0 HA3 GLY A 2 0.051 -6.521 -8.936 1.00 5.21 H new ATOM 27 N VAL A 3 -1.737 -5.836 -7.060 1.00 4.46 N ATOM 28 CA VAL A 3 -2.479 -5.004 -6.126 1.00 4.34 C ATOM 29 C VAL A 3 -3.909 -5.519 -5.955 1.00 3.47 C ATOM 30 O VAL A 3 -4.739 -5.410 -6.856 1.00 3.74 O ATOM 31 CB VAL A 3 -2.494 -3.518 -6.573 1.00 5.24 C ATOM 32 CG1 VAL A 3 -2.821 -3.391 -8.055 1.00 6.05 C ATOM 33 CG2 VAL A 3 -3.470 -2.703 -5.736 1.00 5.84 C ATOM 0 H VAL A 3 -2.297 -6.218 -7.822 1.00 4.46 H new ATOM 0 HA VAL A 3 -1.969 -5.061 -5.165 1.00 4.34 H new ATOM 0 HB VAL A 3 -1.493 -3.117 -6.413 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -2.824 -2.338 -8.338 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -2.070 -3.922 -8.640 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -3.803 -3.822 -8.249 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -3.459 -1.666 -6.072 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -4.475 -3.111 -5.849 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -3.176 -2.748 -4.687 1.00 5.84 H new ATOM 43 N THR A 4 -4.190 -6.088 -4.792 1.00 2.94 N ATOM 44 CA THR A 4 -5.523 -6.592 -4.495 1.00 2.60 C ATOM 45 C THR A 4 -6.412 -5.480 -3.940 1.00 2.42 C ATOM 46 O THR A 4 -6.896 -5.552 -2.809 1.00 3.09 O ATOM 47 CB THR A 4 -5.463 -7.765 -3.497 1.00 2.97 C ATOM 48 OG1 THR A 4 -4.277 -8.534 -3.738 1.00 3.36 O ATOM 49 CG2 THR A 4 -6.686 -8.661 -3.632 1.00 3.59 C ATOM 0 H THR A 4 -3.513 -6.212 -4.039 1.00 2.94 H new ATOM 0 HA THR A 4 -5.954 -6.954 -5.428 1.00 2.60 H new ATOM 0 HB THR A 4 -5.446 -7.358 -2.486 1.00 2.97 H new ATOM 0 HG1 THR A 4 -4.236 -9.280 -3.103 1.00 3.36 H new ATOM 0 HG21 THR A 4 -6.618 -9.480 -2.916 1.00 3.59 H new ATOM 0 HG22 THR A 4 -7.587 -8.080 -3.433 1.00 3.59 H new ATOM 0 HG23 THR A 4 -6.731 -9.065 -4.643 1.00 3.59 H new ATOM 57 N GLU A 5 -6.598 -4.441 -4.744 1.00 2.01 N ATOM 58 CA GLU A 5 -7.436 -3.310 -4.376 1.00 1.95 C ATOM 59 C GLU A 5 -7.713 -2.460 -5.605 1.00 2.02 C ATOM 60 O GLU A 5 -6.812 -1.813 -6.143 1.00 2.45 O ATOM 61 CB GLU A 5 -6.763 -2.462 -3.294 1.00 2.25 C ATOM 62 CG GLU A 5 -7.653 -2.205 -2.092 1.00 2.50 C ATOM 63 CD GLU A 5 -7.803 -0.731 -1.778 1.00 3.01 C ATOM 64 OE1 GLU A 5 -7.422 0.102 -2.630 1.00 3.44 O ATOM 65 OE2 GLU A 5 -8.305 -0.396 -0.688 1.00 3.47 O ATOM 0 H GLU A 5 -6.173 -4.360 -5.667 1.00 2.01 H new ATOM 0 HA GLU A 5 -8.376 -3.689 -3.976 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -5.853 -2.963 -2.963 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -6.462 -1.507 -3.725 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -8.638 -2.635 -2.276 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -7.239 -2.717 -1.223 1.00 2.50 H new ATOM 72 N ALA A 6 -8.953 -2.482 -6.059 1.00 1.93 N ATOM 73 CA ALA A 6 -9.337 -1.750 -7.250 1.00 2.21 C ATOM 74 C ALA A 6 -10.764 -1.239 -7.139 1.00 1.87 C ATOM 75 O ALA A 6 -11.713 -2.020 -7.059 1.00 2.34 O ATOM 76 CB ALA A 6 -9.184 -2.630 -8.479 1.00 3.01 C ATOM 0 H ALA A 6 -9.713 -3.001 -5.619 1.00 1.93 H new ATOM 0 HA ALA A 6 -8.677 -0.889 -7.349 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -9.475 -2.069 -9.367 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -8.145 -2.945 -8.574 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -9.822 -3.508 -8.379 1.00 3.01 H new ATOM 82 N GLN A 7 -10.910 0.076 -7.143 1.00 1.57 N ATOM 83 CA GLN A 7 -12.221 0.708 -7.090 1.00 1.65 C ATOM 84 C GLN A 7 -12.820 0.768 -8.493 1.00 1.53 C ATOM 85 O GLN A 7 -13.299 1.811 -8.940 1.00 1.80 O ATOM 86 CB GLN A 7 -12.092 2.116 -6.511 1.00 2.14 C ATOM 87 CG GLN A 7 -13.227 2.516 -5.584 1.00 2.64 C ATOM 88 CD GLN A 7 -13.109 3.959 -5.128 1.00 3.04 C ATOM 89 OE1 GLN A 7 -12.026 4.546 -5.164 1.00 3.51 O ATOM 90 NE2 GLN A 7 -14.218 4.543 -4.706 1.00 3.49 N ATOM 0 H GLN A 7 -10.130 0.732 -7.183 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.880 0.122 -6.449 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.151 2.187 -5.966 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -12.040 2.831 -7.332 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -14.179 2.374 -6.095 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -13.232 1.860 -4.713 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -15.095 4.022 -4.692 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -14.196 5.514 -4.395 1.00 3.49 H new ATOM 99 N TYR A 8 -12.789 -0.366 -9.178 1.00 1.48 N ATOM 100 CA TYR A 8 -13.201 -0.435 -10.568 1.00 1.47 C ATOM 101 C TYR A 8 -14.648 -0.903 -10.694 1.00 1.56 C ATOM 102 O TYR A 8 -15.571 -0.090 -10.675 1.00 2.27 O ATOM 103 CB TYR A 8 -12.266 -1.375 -11.343 1.00 1.61 C ATOM 104 CG TYR A 8 -12.602 -1.496 -12.813 1.00 1.62 C ATOM 105 CD1 TYR A 8 -12.820 -0.365 -13.592 1.00 1.71 C ATOM 106 CD2 TYR A 8 -12.693 -2.738 -13.421 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.124 -0.473 -14.936 1.00 1.89 C ATOM 108 CE2 TYR A 8 -12.994 -2.854 -14.762 1.00 2.00 C ATOM 109 CZ TYR A 8 -13.232 -1.714 -15.511 1.00 2.01 C ATOM 110 OH TYR A 8 -13.516 -1.841 -16.853 1.00 2.32 O ATOM 0 H TYR A 8 -12.480 -1.256 -8.788 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.137 0.566 -10.994 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.241 -1.017 -11.243 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.304 -2.365 -10.889 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -12.751 0.613 -13.140 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -12.525 -3.630 -12.835 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.276 0.416 -15.531 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -13.044 -3.828 -15.225 1.00 2.00 H new ATOM 0 HH TYR A 8 -13.554 -2.791 -17.091 1.00 2.32 H new ATOM 120 N VAL A 9 -14.830 -2.219 -10.791 1.00 1.35 N ATOM 121 CA VAL A 9 -16.136 -2.824 -11.052 1.00 1.47 C ATOM 122 C VAL A 9 -16.660 -2.407 -12.430 1.00 1.51 C ATOM 123 O VAL A 9 -16.424 -3.106 -13.414 1.00 2.13 O ATOM 124 CB VAL A 9 -17.180 -2.481 -9.959 1.00 1.74 C ATOM 125 CG1 VAL A 9 -18.419 -3.352 -10.113 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.587 -2.655 -8.567 1.00 2.05 C ATOM 0 H VAL A 9 -14.075 -2.897 -10.691 1.00 1.35 H new ATOM 0 HA VAL A 9 -15.990 -3.904 -11.033 1.00 1.47 H new ATOM 0 HB VAL A 9 -17.467 -1.437 -10.083 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -19.141 -3.098 -9.337 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -18.864 -3.182 -11.093 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -18.140 -4.401 -10.019 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -17.339 -2.408 -7.818 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -16.268 -3.689 -8.434 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -15.729 -1.993 -8.452 1.00 2.05 H new ATOM 136 N ALA A 10 -17.337 -1.257 -12.488 1.00 1.41 N ATOM 137 CA ALA A 10 -17.927 -0.737 -13.729 1.00 1.50 C ATOM 138 C ALA A 10 -18.762 -1.797 -14.454 1.00 1.34 C ATOM 139 O ALA A 10 -18.381 -2.277 -15.524 1.00 1.73 O ATOM 140 CB ALA A 10 -16.842 -0.189 -14.647 1.00 2.09 C ATOM 0 H ALA A 10 -17.493 -0.658 -11.677 1.00 1.41 H new ATOM 0 HA ALA A 10 -18.600 0.075 -13.455 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -17.297 0.192 -15.561 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -16.312 0.618 -14.142 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -16.140 -0.985 -14.896 1.00 2.09 H new ATOM 146 N PRO A 11 -19.919 -2.168 -13.882 1.00 1.24 N ATOM 147 CA PRO A 11 -20.786 -3.192 -14.449 1.00 1.52 C ATOM 148 C PRO A 11 -21.795 -2.623 -15.446 1.00 1.50 C ATOM 149 O PRO A 11 -22.149 -1.444 -15.382 1.00 1.83 O ATOM 150 CB PRO A 11 -21.496 -3.732 -13.210 1.00 1.87 C ATOM 151 CG PRO A 11 -21.614 -2.556 -12.295 1.00 1.88 C ATOM 152 CD PRO A 11 -20.481 -1.614 -12.634 1.00 1.45 C ATOM 0 HA PRO A 11 -20.236 -3.941 -15.018 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.476 -4.138 -13.461 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -20.926 -4.538 -12.747 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.577 -2.062 -12.424 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -21.555 -2.871 -11.253 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -20.838 -0.594 -12.775 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.736 -1.583 -11.839 1.00 1.45 H new ATOM 160 N THR A 12 -22.255 -3.459 -16.365 1.00 1.33 N ATOM 161 CA THR A 12 -23.228 -3.032 -17.354 1.00 1.44 C ATOM 162 C THR A 12 -24.648 -3.343 -16.899 1.00 1.40 C ATOM 163 O THR A 12 -25.431 -2.433 -16.612 1.00 1.90 O ATOM 164 CB THR A 12 -22.975 -3.697 -18.720 1.00 1.69 C ATOM 165 OG1 THR A 12 -21.850 -4.585 -18.631 1.00 1.79 O ATOM 166 CG2 THR A 12 -22.722 -2.648 -19.791 1.00 2.04 C ATOM 0 H THR A 12 -21.970 -4.435 -16.445 1.00 1.33 H new ATOM 0 HA THR A 12 -23.115 -1.953 -17.462 1.00 1.44 H new ATOM 0 HB THR A 12 -23.863 -4.266 -18.996 1.00 1.69 H new ATOM 0 HG1 THR A 12 -22.168 -5.505 -18.513 1.00 1.79 H new ATOM 0 HG21 THR A 12 -22.546 -3.140 -20.748 1.00 2.04 H new ATOM 0 HG22 THR A 12 -23.591 -1.995 -19.873 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.848 -2.056 -19.521 1.00 2.04 H new ATOM 174 N ASN A 13 -24.981 -4.628 -16.816 1.00 1.11 N ATOM 175 CA ASN A 13 -26.339 -5.021 -16.471 1.00 1.23 C ATOM 176 C ASN A 13 -26.399 -6.398 -15.818 1.00 1.03 C ATOM 177 O ASN A 13 -26.015 -7.398 -16.422 1.00 1.32 O ATOM 178 CB ASN A 13 -27.224 -5.011 -17.721 1.00 1.71 C ATOM 179 CG ASN A 13 -28.638 -5.476 -17.425 1.00 1.80 C ATOM 180 OD1 ASN A 13 -28.984 -6.636 -17.655 1.00 2.19 O ATOM 181 ND2 ASN A 13 -29.460 -4.580 -16.907 1.00 2.24 N ATOM 0 H ASN A 13 -24.338 -5.403 -16.981 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.706 -4.294 -15.746 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -27.254 -4.003 -18.135 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -26.783 -5.655 -18.482 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -30.421 -4.839 -16.682 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -29.134 -3.630 -16.732 1.00 2.24 H new ATOM 188 N ALA A 14 -26.874 -6.419 -14.572 1.00 1.04 N ATOM 189 CA ALA A 14 -27.259 -7.649 -13.870 1.00 1.05 C ATOM 190 C ALA A 14 -26.085 -8.580 -13.563 1.00 0.96 C ATOM 191 O ALA A 14 -25.594 -8.604 -12.437 1.00 0.91 O ATOM 192 CB ALA A 14 -28.334 -8.392 -14.653 1.00 1.42 C ATOM 0 H ALA A 14 -27.004 -5.575 -14.014 1.00 1.04 H new ATOM 0 HA ALA A 14 -27.655 -7.334 -12.904 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.609 -9.302 -14.120 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.212 -7.755 -14.760 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -27.951 -8.652 -15.640 1.00 1.42 H new ATOM 198 N VAL A 15 -25.645 -9.335 -14.565 1.00 1.05 N ATOM 199 CA VAL A 15 -24.694 -10.431 -14.364 1.00 1.12 C ATOM 200 C VAL A 15 -23.423 -9.984 -13.642 1.00 0.97 C ATOM 201 O VAL A 15 -23.146 -10.438 -12.534 1.00 0.96 O ATOM 202 CB VAL A 15 -24.295 -11.109 -15.695 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.040 -12.424 -15.871 1.00 1.45 C ATOM 204 CG2 VAL A 15 -24.544 -10.189 -16.882 1.00 1.99 C ATOM 0 H VAL A 15 -25.934 -9.208 -15.535 1.00 1.05 H new ATOM 0 HA VAL A 15 -25.220 -11.150 -13.736 1.00 1.12 H new ATOM 0 HB VAL A 15 -23.226 -11.319 -15.654 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -24.746 -12.886 -16.813 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.795 -13.094 -15.047 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.114 -12.236 -15.879 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -24.253 -10.696 -17.802 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -25.602 -9.933 -16.928 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -23.955 -9.279 -16.767 1.00 1.99 H new ATOM 214 N GLU A 16 -22.665 -9.093 -14.267 1.00 0.95 N ATOM 215 CA GLU A 16 -21.387 -8.650 -13.713 1.00 0.94 C ATOM 216 C GLU A 16 -21.574 -7.940 -12.377 1.00 0.83 C ATOM 217 O GLU A 16 -20.767 -8.099 -11.460 1.00 0.86 O ATOM 218 CB GLU A 16 -20.665 -7.730 -14.701 1.00 1.06 C ATOM 219 CG GLU A 16 -21.588 -6.748 -15.408 1.00 1.37 C ATOM 220 CD GLU A 16 -22.026 -7.232 -16.772 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.484 -8.251 -17.247 1.00 1.93 O ATOM 222 OE2 GLU A 16 -22.912 -6.589 -17.368 1.00 1.53 O ATOM 0 H GLU A 16 -22.911 -8.661 -15.158 1.00 0.95 H new ATOM 0 HA GLU A 16 -20.777 -9.537 -13.541 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -19.895 -7.172 -14.168 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.157 -8.340 -15.448 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -22.468 -6.574 -14.789 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -21.079 -5.790 -15.514 1.00 1.37 H new ATOM 229 N SER A 17 -22.644 -7.171 -12.272 1.00 0.83 N ATOM 230 CA SER A 17 -22.924 -6.397 -11.078 1.00 0.89 C ATOM 231 C SER A 17 -23.191 -7.305 -9.879 1.00 0.85 C ATOM 232 O SER A 17 -22.649 -7.094 -8.792 1.00 0.88 O ATOM 233 CB SER A 17 -24.125 -5.493 -11.348 1.00 1.09 C ATOM 234 OG SER A 17 -24.441 -5.488 -12.736 1.00 1.48 O ATOM 0 H SER A 17 -23.340 -7.067 -13.010 1.00 0.83 H new ATOM 0 HA SER A 17 -22.053 -5.789 -10.834 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.985 -5.839 -10.774 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.907 -4.478 -11.015 1.00 1.09 H new ATOM 0 HG SER A 17 -25.214 -4.906 -12.894 1.00 1.48 H new ATOM 240 N LYS A 18 -24.012 -8.323 -10.092 1.00 0.85 N ATOM 241 CA LYS A 18 -24.402 -9.232 -9.025 1.00 0.92 C ATOM 242 C LYS A 18 -23.284 -10.216 -8.697 1.00 0.84 C ATOM 243 O LYS A 18 -23.063 -10.547 -7.532 1.00 0.85 O ATOM 244 CB LYS A 18 -25.668 -9.992 -9.420 1.00 1.07 C ATOM 245 CG LYS A 18 -26.942 -9.373 -8.868 1.00 1.38 C ATOM 246 CD LYS A 18 -27.779 -10.395 -8.113 1.00 1.76 C ATOM 247 CE LYS A 18 -28.401 -11.414 -9.056 1.00 2.42 C ATOM 248 NZ LYS A 18 -27.892 -12.789 -8.806 1.00 2.96 N ATOM 0 H LYS A 18 -24.423 -8.541 -11.000 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.601 -8.638 -8.133 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -25.734 -10.032 -10.507 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.590 -11.020 -9.067 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.688 -8.547 -8.203 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.528 -8.955 -9.686 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.155 -10.908 -7.381 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.566 -9.884 -7.558 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -29.485 -11.402 -8.939 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -28.189 -11.131 -10.087 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -28.341 -13.452 -9.470 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -26.861 -12.808 -8.943 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -28.117 -13.070 -7.830 1.00 2.96 H new ATOM 262 N LEU A 19 -22.582 -10.674 -9.727 1.00 0.82 N ATOM 263 CA LEU A 19 -21.502 -11.640 -9.552 1.00 0.84 C ATOM 264 C LEU A 19 -20.369 -11.043 -8.729 1.00 0.80 C ATOM 265 O LEU A 19 -19.887 -11.662 -7.780 1.00 0.82 O ATOM 266 CB LEU A 19 -20.976 -12.104 -10.915 1.00 0.96 C ATOM 267 CG LEU A 19 -21.316 -13.549 -11.295 1.00 1.16 C ATOM 268 CD1 LEU A 19 -20.769 -14.518 -10.257 1.00 1.73 C ATOM 269 CD2 LEU A 19 -22.822 -13.726 -11.453 1.00 1.81 C ATOM 0 H LEU A 19 -22.741 -10.392 -10.694 1.00 0.82 H new ATOM 0 HA LEU A 19 -21.900 -12.501 -9.015 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.374 -11.441 -11.683 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -19.892 -11.989 -10.925 1.00 0.96 H new ATOM 0 HG LEU A 19 -20.845 -13.769 -12.253 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -21.020 -15.539 -10.544 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -19.686 -14.414 -10.198 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -21.209 -14.296 -9.285 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -23.041 -14.759 -11.723 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -23.317 -13.484 -10.513 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -23.186 -13.062 -12.237 1.00 1.81 H new ATOM 281 N ALA A 20 -19.957 -9.834 -9.086 1.00 0.82 N ATOM 282 CA ALA A 20 -18.895 -9.151 -8.361 1.00 0.91 C ATOM 283 C ALA A 20 -19.327 -8.862 -6.930 1.00 0.84 C ATOM 284 O ALA A 20 -18.597 -9.143 -5.982 1.00 0.87 O ATOM 285 CB ALA A 20 -18.509 -7.860 -9.070 1.00 1.08 C ATOM 0 H ALA A 20 -20.341 -9.308 -9.871 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.023 -9.804 -8.334 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.714 -7.363 -8.514 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.159 -8.088 -10.077 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.377 -7.203 -9.128 1.00 1.08 H new ATOM 291 N GLU A 21 -20.535 -8.333 -6.788 1.00 0.85 N ATOM 292 CA GLU A 21 -21.069 -7.962 -5.484 1.00 0.94 C ATOM 293 C GLU A 21 -21.119 -9.160 -4.539 1.00 0.84 C ATOM 294 O GLU A 21 -20.654 -9.080 -3.407 1.00 0.85 O ATOM 295 CB GLU A 21 -22.466 -7.354 -5.643 1.00 1.13 C ATOM 296 CG GLU A 21 -23.184 -7.099 -4.326 1.00 1.72 C ATOM 297 CD GLU A 21 -22.947 -5.706 -3.781 1.00 2.05 C ATOM 298 OE1 GLU A 21 -21.976 -5.053 -4.216 1.00 2.69 O ATOM 299 OE2 GLU A 21 -23.729 -5.250 -2.923 1.00 2.14 O ATOM 0 H GLU A 21 -21.168 -8.150 -7.567 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.401 -7.220 -5.046 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.382 -6.413 -6.187 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.074 -8.022 -6.253 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -24.254 -7.250 -4.467 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -22.853 -7.832 -3.590 1.00 1.72 H new ATOM 306 N ILE A 22 -21.662 -10.272 -5.009 1.00 0.83 N ATOM 307 CA ILE A 22 -21.847 -11.435 -4.152 1.00 0.91 C ATOM 308 C ILE A 22 -20.507 -12.062 -3.747 1.00 0.82 C ATOM 309 O ILE A 22 -20.342 -12.500 -2.613 1.00 0.86 O ATOM 310 CB ILE A 22 -22.770 -12.493 -4.816 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.323 -13.457 -3.766 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.049 -13.264 -5.916 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.762 -13.854 -4.012 1.00 1.91 C ATOM 0 H ILE A 22 -21.980 -10.395 -5.970 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.337 -11.083 -3.244 1.00 0.91 H new ATOM 0 HB ILE A 22 -23.600 -11.958 -5.278 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -22.705 -14.354 -3.746 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.245 -12.994 -2.782 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.729 -13.994 -6.355 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.715 -12.570 -6.687 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -21.187 -13.780 -5.494 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.089 -14.539 -3.230 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -25.392 -12.964 -4.002 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.843 -14.345 -4.982 1.00 1.91 H new ATOM 325 N TRP A 23 -19.541 -12.059 -4.652 1.00 0.79 N ATOM 326 CA TRP A 23 -18.271 -12.727 -4.403 1.00 0.84 C ATOM 327 C TRP A 23 -17.328 -11.862 -3.570 1.00 0.82 C ATOM 328 O TRP A 23 -16.840 -12.289 -2.519 1.00 0.94 O ATOM 329 CB TRP A 23 -17.602 -13.111 -5.725 1.00 0.90 C ATOM 330 CG TRP A 23 -17.787 -14.557 -6.077 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.870 -15.122 -6.689 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.863 -15.627 -5.830 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.674 -16.475 -6.836 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.451 -16.809 -6.318 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.594 -15.700 -5.248 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.815 -18.045 -6.240 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.966 -16.928 -5.169 1.00 1.16 C ATOM 338 CH2 TRP A 23 -15.577 -18.087 -5.664 1.00 1.24 C ATOM 0 H TRP A 23 -19.610 -11.604 -5.562 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.484 -13.631 -3.832 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -18.010 -12.493 -6.525 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.536 -12.891 -5.664 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.750 -14.585 -7.010 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.334 -17.126 -7.262 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.113 -14.812 -4.867 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.284 -18.940 -6.622 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.987 -16.995 -4.718 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.060 -19.032 -5.589 1.00 1.24 H new ATOM 349 N GLU A 24 -17.095 -10.636 -4.019 1.00 0.80 N ATOM 350 CA GLU A 24 -16.090 -9.779 -3.400 1.00 0.93 C ATOM 351 C GLU A 24 -16.590 -9.155 -2.098 1.00 0.90 C ATOM 352 O GLU A 24 -15.824 -8.523 -1.379 1.00 1.04 O ATOM 353 CB GLU A 24 -15.636 -8.688 -4.381 1.00 1.20 C ATOM 354 CG GLU A 24 -16.518 -7.448 -4.397 1.00 1.75 C ATOM 355 CD GLU A 24 -15.716 -6.165 -4.464 1.00 2.29 C ATOM 356 OE1 GLU A 24 -14.810 -6.068 -5.317 1.00 2.65 O ATOM 357 OE2 GLU A 24 -15.986 -5.250 -3.657 1.00 2.78 O ATOM 0 H GLU A 24 -17.586 -10.213 -4.807 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.236 -10.409 -3.150 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -14.618 -8.391 -4.129 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -15.606 -9.110 -5.386 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -17.191 -7.496 -5.253 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.140 -7.437 -3.502 1.00 1.75 H new ATOM 364 N ARG A 25 -17.867 -9.326 -1.787 1.00 0.97 N ATOM 365 CA ARG A 25 -18.404 -8.764 -0.555 1.00 1.16 C ATOM 366 C ARG A 25 -18.867 -9.855 0.407 1.00 1.21 C ATOM 367 O ARG A 25 -19.347 -9.561 1.504 1.00 1.50 O ATOM 368 CB ARG A 25 -19.547 -7.793 -0.856 1.00 1.41 C ATOM 369 CG ARG A 25 -19.206 -6.774 -1.933 1.00 1.99 C ATOM 370 CD ARG A 25 -19.283 -5.351 -1.411 1.00 2.67 C ATOM 371 NE ARG A 25 -20.319 -4.582 -2.096 1.00 3.12 N ATOM 372 CZ ARG A 25 -20.729 -3.376 -1.717 1.00 3.67 C ATOM 373 NH1 ARG A 25 -20.141 -2.753 -0.706 1.00 3.90 N ATOM 374 NH2 ARG A 25 -21.716 -2.786 -2.372 1.00 4.40 N ATOM 0 H ARG A 25 -18.539 -9.839 -2.357 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.599 -8.214 -0.068 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.424 -8.361 -1.168 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.817 -7.267 0.059 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -18.202 -6.968 -2.311 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.891 -6.890 -2.773 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -19.488 -5.366 -0.341 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -18.318 -4.862 -1.544 1.00 2.67 H new ATOM 0 HE ARG A 25 -20.756 -4.998 -2.919 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -19.368 -3.199 -0.212 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -20.462 -1.828 -0.421 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -22.157 -3.257 -3.162 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -22.036 -1.860 -2.087 1.00 4.40 H new ATOM 388 N VAL A 26 -18.726 -11.113 0.000 1.00 1.11 N ATOM 389 CA VAL A 26 -19.052 -12.228 0.883 1.00 1.34 C ATOM 390 C VAL A 26 -17.807 -13.055 1.212 1.00 1.36 C ATOM 391 O VAL A 26 -17.750 -13.735 2.240 1.00 1.78 O ATOM 392 CB VAL A 26 -20.163 -13.129 0.283 1.00 1.54 C ATOM 393 CG1 VAL A 26 -19.614 -14.447 -0.256 1.00 2.01 C ATOM 394 CG2 VAL A 26 -21.245 -13.386 1.320 1.00 1.66 C ATOM 0 H VAL A 26 -18.392 -11.384 -0.925 1.00 1.11 H new ATOM 0 HA VAL A 26 -19.435 -11.802 1.810 1.00 1.34 H new ATOM 0 HB VAL A 26 -20.594 -12.595 -0.564 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -20.431 -15.041 -0.665 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -18.885 -14.244 -1.041 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -19.133 -14.998 0.552 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -22.020 -14.019 0.888 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.809 -13.885 2.185 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -21.683 -12.438 1.631 1.00 1.66 H new ATOM 404 N LEU A 27 -16.805 -12.986 0.342 1.00 1.20 N ATOM 405 CA LEU A 27 -15.564 -13.715 0.556 1.00 1.40 C ATOM 406 C LEU A 27 -14.372 -12.763 0.565 1.00 1.42 C ATOM 407 O LEU A 27 -13.846 -12.418 1.624 1.00 1.89 O ATOM 408 CB LEU A 27 -15.381 -14.784 -0.527 1.00 1.51 C ATOM 409 CG LEU A 27 -14.112 -15.630 -0.403 1.00 2.02 C ATOM 410 CD1 LEU A 27 -14.417 -16.958 0.268 1.00 2.17 C ATOM 411 CD2 LEU A 27 -13.484 -15.856 -1.769 1.00 2.85 C ATOM 0 H LEU A 27 -16.829 -12.434 -0.515 1.00 1.20 H new ATOM 0 HA LEU A 27 -15.619 -14.205 1.528 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -16.244 -15.449 -0.508 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -15.378 -14.294 -1.501 1.00 1.51 H new ATOM 0 HG LEU A 27 -13.399 -15.087 0.218 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -13.502 -17.545 0.347 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.819 -16.778 1.265 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -15.149 -17.506 -0.325 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -12.583 -16.460 -1.660 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -14.193 -16.375 -2.414 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -13.225 -14.895 -2.214 1.00 2.85 H new ATOM 423 N GLY A 28 -13.969 -12.318 -0.617 1.00 1.29 N ATOM 424 CA GLY A 28 -12.801 -11.461 -0.730 1.00 1.52 C ATOM 425 C GLY A 28 -13.124 -9.994 -0.531 1.00 1.37 C ATOM 426 O GLY A 28 -12.934 -9.184 -1.437 1.00 1.73 O ATOM 0 H GLY A 28 -14.429 -12.534 -1.501 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -12.059 -11.768 0.007 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.350 -11.598 -1.713 1.00 1.52 H new ATOM 430 N VAL A 29 -13.607 -9.652 0.659 1.00 1.31 N ATOM 431 CA VAL A 29 -13.960 -8.274 0.974 1.00 1.31 C ATOM 432 C VAL A 29 -12.709 -7.396 1.029 1.00 1.43 C ATOM 433 O VAL A 29 -11.909 -7.471 1.963 1.00 1.90 O ATOM 434 CB VAL A 29 -14.770 -8.171 2.295 1.00 1.49 C ATOM 435 CG1 VAL A 29 -14.171 -9.048 3.383 1.00 1.78 C ATOM 436 CG2 VAL A 29 -14.876 -6.728 2.764 1.00 1.92 C ATOM 0 H VAL A 29 -13.763 -10.312 1.421 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.603 -7.909 0.173 1.00 1.31 H new ATOM 0 HB VAL A 29 -15.777 -8.535 2.089 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -14.762 -8.952 4.294 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -14.175 -10.088 3.056 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.146 -8.734 3.581 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -15.448 -6.688 3.691 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -13.877 -6.327 2.937 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -15.379 -6.133 2.001 1.00 1.92 H new ATOM 446 N SER A 30 -12.540 -6.586 -0.010 1.00 1.40 N ATOM 447 CA SER A 30 -11.388 -5.701 -0.141 1.00 1.56 C ATOM 448 C SER A 30 -11.640 -4.669 -1.237 1.00 1.53 C ATOM 449 O SER A 30 -11.179 -3.528 -1.159 1.00 2.21 O ATOM 450 CB SER A 30 -10.119 -6.504 -0.459 1.00 1.76 C ATOM 451 OG SER A 30 -10.429 -7.840 -0.840 1.00 1.94 O ATOM 0 H SER A 30 -13.199 -6.524 -0.786 1.00 1.40 H new ATOM 0 HA SER A 30 -11.242 -5.185 0.808 1.00 1.56 H new ATOM 0 HB2 SER A 30 -9.569 -6.014 -1.262 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.466 -6.516 0.414 1.00 1.76 H new ATOM 0 HG SER A 30 -9.600 -8.325 -1.037 1.00 1.94 H new ATOM 457 N GLY A 31 -12.394 -5.073 -2.250 1.00 1.30 N ATOM 458 CA GLY A 31 -12.681 -4.192 -3.359 1.00 1.27 C ATOM 459 C GLY A 31 -11.775 -4.464 -4.535 1.00 1.21 C ATOM 460 O GLY A 31 -10.646 -3.977 -4.581 1.00 1.58 O ATOM 0 H GLY A 31 -12.813 -6.000 -2.321 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -13.720 -4.316 -3.663 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -12.564 -3.156 -3.041 1.00 1.27 H new ATOM 464 N ILE A 32 -12.260 -5.259 -5.474 1.00 1.13 N ATOM 465 CA ILE A 32 -11.485 -5.624 -6.652 1.00 1.29 C ATOM 466 C ILE A 32 -12.310 -5.435 -7.919 1.00 1.38 C ATOM 467 O ILE A 32 -11.808 -4.954 -8.937 1.00 2.01 O ATOM 468 CB ILE A 32 -10.993 -7.088 -6.588 1.00 1.71 C ATOM 469 CG1 ILE A 32 -11.920 -7.941 -5.715 1.00 2.68 C ATOM 470 CG2 ILE A 32 -9.570 -7.140 -6.056 1.00 2.03 C ATOM 471 CD1 ILE A 32 -12.645 -9.025 -6.481 1.00 3.56 C ATOM 0 H ILE A 32 -13.194 -5.668 -5.444 1.00 1.13 H new ATOM 0 HA ILE A 32 -10.617 -4.966 -6.673 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.008 -7.498 -7.598 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -11.334 -8.400 -4.919 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -12.654 -7.292 -5.237 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.234 -8.176 -6.015 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -8.914 -6.572 -6.715 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -9.540 -6.709 -5.055 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -13.282 -9.588 -5.799 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -13.258 -8.572 -7.260 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -11.918 -9.697 -6.936 1.00 3.56 H new ATOM 483 N GLY A 33 -13.583 -5.806 -7.844 1.00 1.59 N ATOM 484 CA GLY A 33 -14.464 -5.701 -8.988 1.00 1.93 C ATOM 485 C GLY A 33 -14.055 -6.613 -10.128 1.00 1.81 C ATOM 486 O GLY A 33 -14.353 -7.807 -10.115 1.00 2.28 O ATOM 0 H GLY A 33 -14.022 -6.181 -7.003 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.481 -5.944 -8.681 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.475 -4.669 -9.340 1.00 1.93 H new ATOM 490 N ILE A 34 -13.375 -6.042 -11.118 1.00 1.73 N ATOM 491 CA ILE A 34 -12.964 -6.785 -12.304 1.00 1.78 C ATOM 492 C ILE A 34 -11.579 -6.343 -12.772 1.00 1.93 C ATOM 493 O ILE A 34 -11.381 -6.000 -13.939 1.00 2.58 O ATOM 494 CB ILE A 34 -13.955 -6.610 -13.481 1.00 1.94 C ATOM 495 CG1 ILE A 34 -15.371 -6.263 -12.976 1.00 2.07 C ATOM 496 CG2 ILE A 34 -13.957 -7.864 -14.341 1.00 2.43 C ATOM 497 CD1 ILE A 34 -16.491 -7.096 -13.576 1.00 2.67 C ATOM 0 H ILE A 34 -13.096 -5.061 -11.121 1.00 1.73 H new ATOM 0 HA ILE A 34 -12.947 -7.835 -12.012 1.00 1.78 H new ATOM 0 HB ILE A 34 -13.627 -5.771 -14.095 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -15.392 -6.380 -11.893 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -15.568 -5.212 -13.187 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -14.656 -7.737 -15.168 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -12.956 -8.036 -14.735 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -14.261 -8.719 -13.737 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -17.446 -6.777 -13.158 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -16.505 -6.962 -14.658 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -16.327 -8.148 -13.343 1.00 2.67 H new ATOM 509 N LEU A 35 -10.618 -6.347 -11.866 1.00 1.70 N ATOM 510 CA LEU A 35 -9.263 -5.942 -12.209 1.00 1.89 C ATOM 511 C LEU A 35 -8.246 -6.981 -11.743 1.00 1.85 C ATOM 512 O LEU A 35 -8.206 -8.094 -12.275 1.00 2.19 O ATOM 513 CB LEU A 35 -8.945 -4.563 -11.623 1.00 2.03 C ATOM 514 CG LEU A 35 -9.005 -3.402 -12.622 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.395 -2.146 -12.021 1.00 2.44 C ATOM 516 CD2 LEU A 35 -8.293 -3.774 -13.917 1.00 2.46 C ATOM 0 H LEU A 35 -10.747 -6.624 -10.893 1.00 1.70 H new ATOM 0 HA LEU A 35 -9.196 -5.873 -13.295 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -9.644 -4.360 -10.812 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -7.948 -4.593 -11.184 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.052 -3.200 -12.850 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -8.447 -1.333 -12.746 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -8.947 -1.867 -11.123 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -7.353 -2.335 -11.763 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -8.346 -2.938 -14.614 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -7.249 -4.004 -13.705 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -8.774 -4.646 -14.359 1.00 2.46 H new ATOM 528 N ASP A 36 -7.436 -6.626 -10.754 1.00 1.95 N ATOM 529 CA ASP A 36 -6.406 -7.524 -10.245 1.00 2.14 C ATOM 530 C ASP A 36 -6.969 -8.395 -9.129 1.00 1.49 C ATOM 531 O ASP A 36 -6.648 -8.216 -7.952 1.00 1.80 O ATOM 532 CB ASP A 36 -5.204 -6.722 -9.742 1.00 3.20 C ATOM 533 CG ASP A 36 -3.932 -7.546 -9.709 1.00 3.75 C ATOM 534 OD1 ASP A 36 -3.952 -8.705 -10.177 1.00 4.20 O ATOM 535 OD2 ASP A 36 -2.901 -7.040 -9.218 1.00 4.01 O ATOM 0 H ASP A 36 -7.472 -5.720 -10.287 1.00 1.95 H new ATOM 0 HA ASP A 36 -6.075 -8.172 -11.057 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -5.055 -5.854 -10.385 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -5.415 -6.345 -8.741 1.00 3.20 H new ATOM 540 N ASN A 37 -7.819 -9.336 -9.510 1.00 1.38 N ATOM 541 CA ASN A 37 -8.499 -10.196 -8.549 1.00 1.74 C ATOM 542 C ASN A 37 -8.050 -11.641 -8.698 1.00 1.40 C ATOM 543 O ASN A 37 -7.456 -12.017 -9.709 1.00 1.90 O ATOM 544 CB ASN A 37 -10.024 -10.120 -8.723 1.00 2.65 C ATOM 545 CG ASN A 37 -10.453 -9.248 -9.889 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.825 -8.092 -9.707 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.405 -9.793 -11.097 1.00 4.13 N ATOM 0 H ASN A 37 -8.057 -9.526 -10.484 1.00 1.38 H new ATOM 0 HA ASN A 37 -8.235 -9.840 -7.553 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -10.417 -11.126 -8.867 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -10.468 -9.733 -7.806 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -10.683 -9.248 -11.914 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.090 -10.757 -11.210 1.00 4.13 H new ATOM 554 N PHE A 38 -8.348 -12.450 -7.689 1.00 1.23 N ATOM 555 CA PHE A 38 -8.010 -13.869 -7.711 1.00 1.41 C ATOM 556 C PHE A 38 -9.055 -14.658 -8.491 1.00 1.51 C ATOM 557 O PHE A 38 -8.829 -15.810 -8.858 1.00 2.27 O ATOM 558 CB PHE A 38 -7.892 -14.422 -6.286 1.00 1.89 C ATOM 559 CG PHE A 38 -8.772 -13.730 -5.281 1.00 1.43 C ATOM 560 CD1 PHE A 38 -10.119 -14.045 -5.188 1.00 1.78 C ATOM 561 CD2 PHE A 38 -8.254 -12.763 -4.433 1.00 1.62 C ATOM 562 CE1 PHE A 38 -10.932 -13.409 -4.271 1.00 1.88 C ATOM 563 CE2 PHE A 38 -9.063 -12.125 -3.512 1.00 2.03 C ATOM 564 CZ PHE A 38 -10.394 -12.457 -3.417 1.00 1.97 C ATOM 0 H PHE A 38 -8.826 -12.146 -6.841 1.00 1.23 H new ATOM 0 HA PHE A 38 -7.046 -13.977 -8.208 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -8.139 -15.484 -6.299 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -6.855 -14.340 -5.961 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -10.537 -14.797 -5.841 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -7.207 -12.506 -4.493 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -11.983 -13.652 -4.219 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -8.649 -11.365 -2.866 1.00 2.03 H new ATOM 0 HZ PHE A 38 -11.020 -11.977 -2.679 1.00 1.97 H new ATOM 574 N PHE A 39 -10.197 -14.031 -8.734 1.00 1.24 N ATOM 575 CA PHE A 39 -11.275 -14.662 -9.481 1.00 1.51 C ATOM 576 C PHE A 39 -11.018 -14.545 -10.982 1.00 1.25 C ATOM 577 O PHE A 39 -10.362 -15.401 -11.577 1.00 1.22 O ATOM 578 CB PHE A 39 -12.614 -14.018 -9.113 1.00 2.01 C ATOM 579 CG PHE A 39 -13.809 -14.867 -9.445 1.00 1.77 C ATOM 580 CD1 PHE A 39 -14.081 -16.014 -8.720 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.659 -14.519 -10.482 1.00 1.94 C ATOM 582 CE1 PHE A 39 -15.177 -16.796 -9.022 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.756 -15.298 -10.790 1.00 1.93 C ATOM 584 CZ PHE A 39 -16.014 -16.439 -10.058 1.00 1.75 C ATOM 0 H PHE A 39 -10.401 -13.081 -8.423 1.00 1.24 H new ATOM 0 HA PHE A 39 -11.314 -15.720 -9.221 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -12.620 -13.801 -8.045 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.702 -13.064 -9.633 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -13.428 -16.300 -7.909 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.461 -13.627 -11.057 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -15.379 -17.688 -8.447 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -16.410 -15.015 -11.601 1.00 1.93 H new ATOM 0 HZ PHE A 39 -16.871 -17.052 -10.296 1.00 1.75 H new ATOM 594 N GLN A 40 -11.520 -13.475 -11.586 1.00 1.25 N ATOM 595 CA GLN A 40 -11.301 -13.223 -13.004 1.00 1.25 C ATOM 596 C GLN A 40 -9.833 -12.902 -13.244 1.00 1.28 C ATOM 597 O GLN A 40 -9.275 -12.029 -12.578 1.00 1.93 O ATOM 598 CB GLN A 40 -12.178 -12.066 -13.495 1.00 1.46 C ATOM 599 CG GLN A 40 -13.580 -12.051 -12.901 1.00 1.85 C ATOM 600 CD GLN A 40 -13.694 -11.112 -11.717 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.032 -11.303 -10.695 1.00 2.39 O ATOM 602 NE2 GLN A 40 -14.531 -10.097 -11.844 1.00 1.80 N ATOM 0 H GLN A 40 -12.083 -12.767 -11.114 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.574 -14.118 -13.563 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.684 -11.124 -13.257 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.256 -12.119 -14.581 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.294 -11.752 -13.669 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -13.851 -13.060 -12.589 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -15.059 -9.977 -12.708 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.649 -9.434 -11.078 1.00 1.80 H new ATOM 611 N ILE A 41 -9.214 -13.654 -14.156 1.00 1.12 N ATOM 612 CA ILE A 41 -7.807 -13.477 -14.525 1.00 1.27 C ATOM 613 C ILE A 41 -6.881 -14.102 -13.474 1.00 1.35 C ATOM 614 O ILE A 41 -5.672 -14.244 -13.694 1.00 1.77 O ATOM 615 CB ILE A 41 -7.456 -11.977 -14.785 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.900 -11.810 -16.199 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.471 -11.418 -13.759 1.00 2.27 C ATOM 618 CD1 ILE A 41 -7.452 -10.604 -16.929 1.00 3.23 C ATOM 0 H ILE A 41 -9.677 -14.408 -14.663 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.646 -14.004 -15.465 1.00 1.27 H new ATOM 0 HB ILE A 41 -8.379 -11.406 -14.682 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -5.814 -11.727 -16.146 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -7.123 -12.707 -16.776 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.262 -10.373 -13.987 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.904 -11.492 -12.761 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -5.544 -11.990 -13.796 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -7.013 -10.549 -17.925 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -8.535 -10.694 -17.014 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -7.206 -9.699 -16.374 1.00 3.23 H new ATOM 630 N GLY A 42 -7.464 -14.514 -12.353 1.00 1.60 N ATOM 631 CA GLY A 42 -6.689 -15.115 -11.287 1.00 1.96 C ATOM 632 C GLY A 42 -6.323 -16.554 -11.585 1.00 1.64 C ATOM 633 O GLY A 42 -5.143 -16.903 -11.626 1.00 2.06 O ATOM 0 H GLY A 42 -8.464 -14.441 -12.165 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -5.779 -14.536 -11.131 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -7.258 -15.072 -10.358 1.00 1.96 H new ATOM 637 N GLY A 43 -7.331 -17.386 -11.802 1.00 1.60 N ATOM 638 CA GLY A 43 -7.078 -18.774 -12.126 1.00 1.92 C ATOM 639 C GLY A 43 -8.154 -19.701 -11.598 1.00 1.62 C ATOM 640 O GLY A 43 -9.003 -20.172 -12.357 1.00 2.17 O ATOM 0 H GLY A 43 -8.316 -17.126 -11.760 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -7.008 -18.884 -13.208 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.114 -19.070 -11.713 1.00 1.92 H new ATOM 644 N HIS A 44 -8.123 -19.962 -10.296 1.00 1.25 N ATOM 645 CA HIS A 44 -9.081 -20.868 -9.670 1.00 1.22 C ATOM 646 C HIS A 44 -9.055 -20.726 -8.146 1.00 1.13 C ATOM 647 O HIS A 44 -8.024 -20.941 -7.505 1.00 1.36 O ATOM 648 CB HIS A 44 -8.810 -22.329 -10.083 1.00 1.54 C ATOM 649 CG HIS A 44 -7.477 -22.874 -9.648 1.00 1.39 C ATOM 650 ND1 HIS A 44 -7.343 -24.053 -8.953 1.00 1.94 N ATOM 651 CD2 HIS A 44 -6.219 -22.395 -9.811 1.00 1.92 C ATOM 652 CE1 HIS A 44 -6.068 -24.277 -8.705 1.00 2.26 C ATOM 653 NE2 HIS A 44 -5.363 -23.287 -9.215 1.00 2.26 N ATOM 0 H HIS A 44 -7.443 -19.558 -9.651 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.076 -20.594 -10.020 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -9.597 -22.960 -9.669 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -8.880 -22.403 -11.168 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -5.942 -21.481 -10.316 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -5.668 -25.128 -8.174 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -4.348 -23.198 -9.174 1.00 2.26 H new ATOM 662 N SER A 45 -10.187 -20.344 -7.575 1.00 1.01 N ATOM 663 CA SER A 45 -10.315 -20.222 -6.131 1.00 1.10 C ATOM 664 C SER A 45 -10.760 -21.551 -5.528 1.00 1.13 C ATOM 665 O SER A 45 -11.526 -22.290 -6.145 1.00 1.31 O ATOM 666 CB SER A 45 -11.316 -19.115 -5.802 1.00 1.19 C ATOM 667 OG SER A 45 -11.614 -18.353 -6.962 1.00 1.19 O ATOM 0 H SER A 45 -11.035 -20.112 -8.093 1.00 1.01 H new ATOM 0 HA SER A 45 -9.348 -19.962 -5.701 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.231 -19.551 -5.401 1.00 1.19 H new ATOM 0 HB3 SER A 45 -10.907 -18.465 -5.028 1.00 1.19 H new ATOM 0 HG SER A 45 -12.257 -17.650 -6.735 1.00 1.19 H new ATOM 673 N LEU A 46 -10.259 -21.862 -4.339 1.00 1.21 N ATOM 674 CA LEU A 46 -10.597 -23.113 -3.669 1.00 1.32 C ATOM 675 C LEU A 46 -12.057 -23.121 -3.214 1.00 1.35 C ATOM 676 O LEU A 46 -12.384 -22.655 -2.119 1.00 1.77 O ATOM 677 CB LEU A 46 -9.670 -23.336 -2.468 1.00 1.50 C ATOM 678 CG LEU A 46 -8.364 -24.070 -2.783 1.00 1.83 C ATOM 679 CD1 LEU A 46 -7.252 -23.593 -1.858 1.00 2.37 C ATOM 680 CD2 LEU A 46 -8.558 -25.572 -2.661 1.00 2.35 C ATOM 0 H LEU A 46 -9.617 -21.265 -3.818 1.00 1.21 H new ATOM 0 HA LEU A 46 -10.461 -23.925 -4.383 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -9.428 -22.367 -2.031 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.213 -23.901 -1.710 1.00 1.50 H new ATOM 0 HG LEU A 46 -8.076 -23.845 -3.810 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -6.330 -24.124 -2.094 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -7.100 -22.522 -1.994 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -7.530 -23.791 -0.823 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -7.621 -26.080 -2.888 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -8.867 -25.818 -1.645 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -9.326 -25.898 -3.362 1.00 2.35 H new ATOM 692 N LYS A 47 -12.929 -23.647 -4.069 1.00 1.23 N ATOM 693 CA LYS A 47 -14.350 -23.754 -3.769 1.00 1.28 C ATOM 694 C LYS A 47 -15.055 -24.581 -4.838 1.00 1.27 C ATOM 695 O LYS A 47 -14.515 -24.796 -5.925 1.00 1.27 O ATOM 696 CB LYS A 47 -14.991 -22.368 -3.682 1.00 1.30 C ATOM 697 CG LYS A 47 -16.028 -22.252 -2.579 1.00 1.49 C ATOM 698 CD LYS A 47 -15.876 -20.957 -1.802 1.00 1.72 C ATOM 699 CE LYS A 47 -16.800 -20.925 -0.594 1.00 1.61 C ATOM 700 NZ LYS A 47 -16.146 -21.473 0.623 1.00 2.27 N ATOM 0 H LYS A 47 -12.670 -24.010 -4.986 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.457 -24.250 -2.804 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.211 -21.625 -3.517 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -15.459 -22.132 -4.637 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -17.027 -22.302 -3.012 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -15.932 -23.098 -1.899 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -14.842 -20.846 -1.475 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -16.097 -20.111 -2.454 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -17.114 -19.899 -0.405 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.701 -21.499 -0.811 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -16.810 -21.432 1.422 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -15.869 -22.461 0.453 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -15.301 -20.910 0.846 1.00 2.27 H new ATOM 714 N ALA A 48 -16.273 -25.021 -4.529 1.00 1.33 N ATOM 715 CA ALA A 48 -17.060 -25.842 -5.445 1.00 1.38 C ATOM 716 C ALA A 48 -17.323 -25.126 -6.766 1.00 1.18 C ATOM 717 O ALA A 48 -17.514 -25.768 -7.795 1.00 1.05 O ATOM 718 CB ALA A 48 -18.378 -26.239 -4.798 1.00 1.64 C ATOM 0 H ALA A 48 -16.739 -24.820 -3.644 1.00 1.33 H new ATOM 0 HA ALA A 48 -16.479 -26.738 -5.662 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -18.954 -26.851 -5.492 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -18.181 -26.809 -3.890 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -18.945 -25.342 -4.548 1.00 1.64 H new ATOM 724 N MET A 49 -17.333 -23.797 -6.731 1.00 1.20 N ATOM 725 CA MET A 49 -17.546 -22.993 -7.932 1.00 1.09 C ATOM 726 C MET A 49 -16.469 -23.283 -8.975 1.00 0.94 C ATOM 727 O MET A 49 -16.754 -23.370 -10.170 1.00 0.85 O ATOM 728 CB MET A 49 -17.550 -21.503 -7.584 1.00 1.22 C ATOM 729 CG MET A 49 -18.735 -21.074 -6.733 1.00 1.35 C ATOM 730 SD MET A 49 -18.475 -21.379 -4.975 1.00 1.95 S ATOM 731 CE MET A 49 -19.297 -19.957 -4.261 1.00 2.58 C ATOM 0 H MET A 49 -17.196 -23.251 -5.880 1.00 1.20 H new ATOM 0 HA MET A 49 -18.516 -23.260 -8.351 1.00 1.09 H new ATOM 0 HB2 MET A 49 -16.628 -21.261 -7.055 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.549 -20.924 -8.507 1.00 1.22 H new ATOM 0 HG2 MET A 49 -18.924 -20.012 -6.889 1.00 1.35 H new ATOM 0 HG3 MET A 49 -19.626 -21.608 -7.062 1.00 1.35 H new ATOM 0 HE1 MET A 49 -19.649 -20.205 -3.260 1.00 2.58 H new ATOM 0 HE2 MET A 49 -18.597 -19.123 -4.204 1.00 2.58 H new ATOM 0 HE3 MET A 49 -20.146 -19.676 -4.885 1.00 2.58 H new ATOM 741 N ALA A 50 -15.236 -23.458 -8.512 1.00 0.96 N ATOM 742 CA ALA A 50 -14.123 -23.742 -9.403 1.00 0.90 C ATOM 743 C ALA A 50 -14.184 -25.182 -9.888 1.00 0.84 C ATOM 744 O ALA A 50 -13.880 -25.467 -11.041 1.00 0.80 O ATOM 745 CB ALA A 50 -12.799 -23.472 -8.709 1.00 1.06 C ATOM 0 H ALA A 50 -14.985 -23.408 -7.525 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.199 -23.082 -10.267 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -11.979 -23.691 -9.393 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -12.752 -22.425 -8.409 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -12.715 -24.106 -7.827 1.00 1.06 H new ATOM 751 N VAL A 51 -14.592 -26.082 -8.999 1.00 0.90 N ATOM 752 CA VAL A 51 -14.712 -27.496 -9.337 1.00 0.92 C ATOM 753 C VAL A 51 -15.776 -27.705 -10.414 1.00 0.84 C ATOM 754 O VAL A 51 -15.577 -28.462 -11.367 1.00 0.85 O ATOM 755 CB VAL A 51 -15.070 -28.349 -8.099 1.00 1.07 C ATOM 756 CG1 VAL A 51 -14.949 -29.833 -8.415 1.00 1.17 C ATOM 757 CG2 VAL A 51 -14.187 -27.978 -6.917 1.00 1.46 C ATOM 0 H VAL A 51 -14.846 -25.857 -8.037 1.00 0.90 H new ATOM 0 HA VAL A 51 -13.741 -27.818 -9.714 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.106 -28.141 -7.830 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.205 -30.416 -7.530 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.629 -30.089 -9.227 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -13.926 -30.059 -8.714 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -14.456 -28.590 -6.056 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.142 -28.152 -7.174 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -14.330 -26.925 -6.672 1.00 1.46 H new ATOM 767 N ALA A 52 -16.898 -27.012 -10.258 1.00 0.84 N ATOM 768 CA ALA A 52 -18.000 -27.100 -11.209 1.00 0.85 C ATOM 769 C ALA A 52 -17.583 -26.569 -12.575 1.00 0.77 C ATOM 770 O ALA A 52 -17.904 -27.161 -13.609 1.00 0.83 O ATOM 771 CB ALA A 52 -19.210 -26.337 -10.692 1.00 0.97 C ATOM 0 H ALA A 52 -17.069 -26.379 -9.477 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.270 -28.150 -11.319 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.023 -26.413 -11.414 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.529 -26.762 -9.740 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.946 -25.289 -10.551 1.00 0.97 H new ATOM 777 N ALA A 53 -16.861 -25.452 -12.576 1.00 0.72 N ATOM 778 CA ALA A 53 -16.360 -24.867 -13.812 1.00 0.74 C ATOM 779 C ALA A 53 -15.334 -25.791 -14.457 1.00 0.73 C ATOM 780 O ALA A 53 -15.253 -25.894 -15.682 1.00 0.93 O ATOM 781 CB ALA A 53 -15.751 -23.496 -13.542 1.00 0.82 C ATOM 0 H ALA A 53 -16.611 -24.935 -11.733 1.00 0.72 H new ATOM 0 HA ALA A 53 -17.195 -24.743 -14.502 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -15.381 -23.072 -14.476 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.510 -22.837 -13.120 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.926 -23.597 -12.837 1.00 0.82 H new ATOM 787 N GLN A 54 -14.572 -26.479 -13.615 1.00 0.71 N ATOM 788 CA GLN A 54 -13.543 -27.399 -14.072 1.00 0.83 C ATOM 789 C GLN A 54 -14.152 -28.561 -14.852 1.00 0.88 C ATOM 790 O GLN A 54 -13.705 -28.875 -15.953 1.00 1.07 O ATOM 791 CB GLN A 54 -12.743 -27.930 -12.878 1.00 0.99 C ATOM 792 CG GLN A 54 -11.675 -28.943 -13.256 1.00 1.27 C ATOM 793 CD GLN A 54 -10.276 -28.368 -13.169 1.00 1.30 C ATOM 794 OE1 GLN A 54 -9.582 -28.247 -14.178 1.00 1.76 O ATOM 795 NE2 GLN A 54 -9.847 -28.014 -11.965 1.00 1.86 N ATOM 0 H GLN A 54 -14.651 -26.414 -12.600 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.874 -26.855 -14.739 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.270 -27.091 -12.368 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -13.430 -28.389 -12.167 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -11.750 -29.809 -12.598 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.857 -29.297 -14.271 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -10.453 -28.130 -11.153 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.911 -27.625 -11.851 1.00 1.86 H new ATOM 804 N VAL A 55 -15.177 -29.191 -14.291 1.00 0.88 N ATOM 805 CA VAL A 55 -15.783 -30.354 -14.930 1.00 0.98 C ATOM 806 C VAL A 55 -16.652 -29.956 -16.121 1.00 0.96 C ATOM 807 O VAL A 55 -16.729 -30.685 -17.107 1.00 1.10 O ATOM 808 CB VAL A 55 -16.616 -31.196 -13.939 1.00 1.13 C ATOM 809 CG1 VAL A 55 -15.702 -31.934 -12.972 1.00 1.82 C ATOM 810 CG2 VAL A 55 -17.613 -30.334 -13.179 1.00 1.36 C ATOM 0 H VAL A 55 -15.603 -28.921 -13.404 1.00 0.88 H new ATOM 0 HA VAL A 55 -14.955 -30.966 -15.288 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.182 -31.928 -14.515 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -16.304 -32.523 -12.280 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -15.040 -32.596 -13.530 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -15.107 -31.213 -12.412 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -18.183 -30.958 -12.490 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -17.078 -29.568 -12.617 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -18.294 -29.857 -13.884 1.00 1.36 H new ATOM 820 N HIS A 56 -17.290 -28.791 -16.046 1.00 0.95 N ATOM 821 CA HIS A 56 -18.163 -28.344 -17.127 1.00 1.02 C ATOM 822 C HIS A 56 -17.354 -27.889 -18.338 1.00 0.97 C ATOM 823 O HIS A 56 -17.802 -28.016 -19.475 1.00 1.30 O ATOM 824 CB HIS A 56 -19.086 -27.216 -16.660 1.00 1.22 C ATOM 825 CG HIS A 56 -20.538 -27.516 -16.876 1.00 1.39 C ATOM 826 ND1 HIS A 56 -21.105 -27.684 -18.124 1.00 1.92 N ATOM 827 CD2 HIS A 56 -21.545 -27.688 -15.986 1.00 1.81 C ATOM 828 CE1 HIS A 56 -22.390 -27.948 -17.991 1.00 1.97 C ATOM 829 NE2 HIS A 56 -22.681 -27.954 -16.706 1.00 1.97 N ATOM 0 H HIS A 56 -17.221 -28.147 -15.258 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.777 -29.195 -17.421 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -18.914 -27.029 -15.600 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -18.828 -26.300 -17.191 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -21.467 -27.627 -14.911 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -23.085 -28.128 -18.798 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -23.605 -28.129 -16.310 1.00 1.97 H new ATOM 838 N ARG A 57 -16.165 -27.358 -18.089 1.00 0.98 N ATOM 839 CA ARG A 57 -15.269 -26.961 -19.171 1.00 1.19 C ATOM 840 C ARG A 57 -14.410 -28.151 -19.598 1.00 1.33 C ATOM 841 O ARG A 57 -13.724 -28.103 -20.622 1.00 2.17 O ATOM 842 CB ARG A 57 -14.408 -25.760 -18.733 1.00 1.33 C ATOM 843 CG ARG A 57 -12.902 -26.007 -18.731 1.00 1.79 C ATOM 844 CD ARG A 57 -12.206 -25.231 -19.841 1.00 1.88 C ATOM 845 NE ARG A 57 -11.095 -25.980 -20.427 1.00 2.28 N ATOM 846 CZ ARG A 57 -10.085 -25.418 -21.092 1.00 2.79 C ATOM 847 NH1 ARG A 57 -10.052 -24.103 -21.276 1.00 3.10 N ATOM 848 NH2 ARG A 57 -9.120 -26.175 -21.593 1.00 3.57 N ATOM 0 H ARG A 57 -15.798 -27.192 -17.152 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.856 -26.647 -20.034 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -14.621 -24.920 -19.394 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -14.713 -25.462 -17.730 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -12.486 -25.716 -17.766 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.707 -27.072 -18.854 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -12.929 -24.988 -20.620 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -11.835 -24.286 -19.444 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.093 -26.994 -20.321 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -10.802 -23.518 -20.908 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -9.277 -23.679 -21.785 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -9.150 -27.187 -21.470 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -8.347 -25.746 -22.102 1.00 3.57 H new ATOM 862 N GLU A 58 -14.482 -29.217 -18.803 1.00 1.21 N ATOM 863 CA GLU A 58 -13.731 -30.445 -19.049 1.00 1.40 C ATOM 864 C GLU A 58 -12.235 -30.211 -18.875 1.00 1.22 C ATOM 865 O GLU A 58 -11.458 -30.350 -19.821 1.00 1.68 O ATOM 866 CB GLU A 58 -14.037 -31.013 -20.436 1.00 1.88 C ATOM 867 CG GLU A 58 -15.088 -32.110 -20.415 1.00 2.68 C ATOM 868 CD GLU A 58 -14.510 -33.460 -20.045 1.00 3.16 C ATOM 869 OE1 GLU A 58 -14.017 -33.604 -18.906 1.00 3.64 O ATOM 870 OE2 GLU A 58 -14.553 -34.385 -20.883 1.00 3.53 O ATOM 0 H GLU A 58 -15.065 -29.253 -17.967 1.00 1.21 H new ATOM 0 HA GLU A 58 -14.047 -31.182 -18.311 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -14.376 -30.206 -21.085 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -13.118 -31.407 -20.871 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -15.870 -31.846 -19.703 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -15.559 -32.176 -21.396 1.00 2.68 H new ATOM 877 N TYR A 59 -11.865 -29.845 -17.648 1.00 1.26 N ATOM 878 CA TYR A 59 -10.474 -29.644 -17.237 1.00 1.40 C ATOM 879 C TYR A 59 -9.940 -28.298 -17.703 1.00 1.33 C ATOM 880 O TYR A 59 -9.711 -28.077 -18.892 1.00 1.82 O ATOM 881 CB TYR A 59 -9.570 -30.781 -17.723 1.00 1.93 C ATOM 882 CG TYR A 59 -9.238 -31.785 -16.647 1.00 2.42 C ATOM 883 CD1 TYR A 59 -10.176 -32.143 -15.692 1.00 2.85 C ATOM 884 CD2 TYR A 59 -7.980 -32.372 -16.586 1.00 2.98 C ATOM 885 CE1 TYR A 59 -9.871 -33.059 -14.705 1.00 3.50 C ATOM 886 CE2 TYR A 59 -7.670 -33.288 -15.602 1.00 3.65 C ATOM 887 CZ TYR A 59 -8.634 -33.639 -14.670 1.00 3.80 C ATOM 888 OH TYR A 59 -8.314 -34.541 -13.681 1.00 4.58 O ATOM 0 H TYR A 59 -12.535 -29.677 -16.898 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.464 -29.650 -16.147 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.059 -31.295 -18.551 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -8.644 -30.358 -18.113 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.160 -31.699 -15.720 1.00 2.85 H new ATOM 0 HD2 TYR A 59 -7.233 -32.107 -17.320 1.00 2.98 H new ATOM 0 HE1 TYR A 59 -10.610 -33.317 -13.961 1.00 3.50 H new ATOM 0 HE2 TYR A 59 -6.685 -33.728 -15.558 1.00 3.65 H new ATOM 0 HH TYR A 59 -7.395 -34.855 -13.810 1.00 4.58 H new ATOM 898 N GLN A 60 -9.750 -27.407 -16.741 1.00 1.24 N ATOM 899 CA GLN A 60 -9.220 -26.075 -16.992 1.00 1.28 C ATOM 900 C GLN A 60 -7.718 -26.058 -16.715 1.00 1.38 C ATOM 901 O GLN A 60 -6.987 -25.195 -17.207 1.00 1.94 O ATOM 902 CB GLN A 60 -9.942 -25.062 -16.096 1.00 1.68 C ATOM 903 CG GLN A 60 -9.529 -23.617 -16.323 1.00 1.83 C ATOM 904 CD GLN A 60 -8.937 -22.976 -15.082 1.00 2.07 C ATOM 905 OE1 GLN A 60 -7.739 -23.077 -14.825 1.00 2.80 O ATOM 906 NE2 GLN A 60 -9.776 -22.307 -14.304 1.00 2.27 N ATOM 0 H GLN A 60 -9.960 -27.589 -15.760 1.00 1.24 H new ATOM 0 HA GLN A 60 -9.385 -25.805 -18.035 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -11.016 -25.150 -16.260 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.757 -25.321 -15.053 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.800 -23.575 -17.132 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.397 -23.042 -16.646 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.763 -22.246 -14.552 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -9.434 -21.853 -13.457 1.00 2.27 H new ATOM 915 N VAL A 61 -7.272 -27.046 -15.937 1.00 1.49 N ATOM 916 CA VAL A 61 -5.871 -27.176 -15.544 1.00 1.90 C ATOM 917 C VAL A 61 -5.465 -26.008 -14.641 1.00 2.03 C ATOM 918 O VAL A 61 -5.929 -25.910 -13.503 1.00 2.77 O ATOM 919 CB VAL A 61 -4.917 -27.276 -16.767 1.00 2.42 C ATOM 920 CG1 VAL A 61 -3.541 -27.775 -16.344 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.497 -28.199 -17.832 1.00 2.70 C ATOM 0 H VAL A 61 -7.874 -27.779 -15.562 1.00 1.49 H new ATOM 0 HA VAL A 61 -5.776 -28.110 -14.991 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.812 -26.276 -17.188 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -2.892 -27.836 -17.217 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.110 -27.084 -15.620 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -3.635 -28.762 -15.892 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.812 -28.254 -18.678 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.636 -29.196 -17.413 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.458 -27.809 -18.167 1.00 2.70 H new ATOM 931 N GLU A 62 -4.609 -25.126 -15.143 1.00 1.77 N ATOM 932 CA GLU A 62 -4.159 -23.973 -14.372 1.00 2.15 C ATOM 933 C GLU A 62 -4.272 -22.704 -15.203 1.00 1.95 C ATOM 934 O GLU A 62 -3.800 -21.641 -14.799 1.00 2.59 O ATOM 935 CB GLU A 62 -2.707 -24.150 -13.916 1.00 2.85 C ATOM 936 CG GLU A 62 -2.329 -25.582 -13.583 1.00 3.27 C ATOM 937 CD GLU A 62 -1.311 -25.668 -12.470 1.00 4.00 C ATOM 938 OE1 GLU A 62 -1.714 -25.651 -11.288 1.00 4.56 O ATOM 939 OE2 GLU A 62 -0.100 -25.747 -12.768 1.00 4.41 O ATOM 0 H GLU A 62 -4.212 -25.187 -16.081 1.00 1.77 H new ATOM 0 HA GLU A 62 -4.798 -23.892 -13.493 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -2.045 -23.784 -14.701 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.535 -23.527 -13.038 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -3.224 -26.133 -13.295 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -1.930 -26.066 -14.474 1.00 3.27 H new ATOM 946 N LEU A 63 -4.899 -22.818 -16.364 1.00 1.62 N ATOM 947 CA LEU A 63 -4.989 -21.702 -17.294 1.00 1.78 C ATOM 948 C LEU A 63 -6.434 -21.477 -17.717 1.00 1.53 C ATOM 949 O LEU A 63 -6.916 -22.100 -18.666 1.00 1.50 O ATOM 950 CB LEU A 63 -4.118 -21.947 -18.533 1.00 2.34 C ATOM 951 CG LEU A 63 -3.094 -23.077 -18.399 1.00 2.46 C ATOM 952 CD1 LEU A 63 -3.605 -24.347 -19.062 1.00 2.93 C ATOM 953 CD2 LEU A 63 -1.762 -22.662 -19.002 1.00 3.01 C ATOM 0 H LEU A 63 -5.354 -23.673 -16.685 1.00 1.62 H new ATOM 0 HA LEU A 63 -4.623 -20.811 -16.783 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.770 -22.168 -19.378 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -3.588 -21.025 -18.773 1.00 2.34 H new ATOM 0 HG LEU A 63 -2.946 -23.280 -17.338 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -2.862 -25.137 -18.955 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -4.535 -24.657 -18.586 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -3.784 -24.158 -20.120 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -1.046 -23.477 -18.898 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -1.897 -22.430 -20.058 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -1.386 -21.780 -18.483 1.00 3.01 H new ATOM 965 N PRO A 64 -7.148 -20.596 -17.011 1.00 1.52 N ATOM 966 CA PRO A 64 -8.534 -20.273 -17.335 1.00 1.44 C ATOM 967 C PRO A 64 -8.647 -19.468 -18.624 1.00 1.43 C ATOM 968 O PRO A 64 -7.969 -18.458 -18.798 1.00 1.89 O ATOM 969 CB PRO A 64 -9.001 -19.442 -16.137 1.00 1.66 C ATOM 970 CG PRO A 64 -7.755 -18.851 -15.571 1.00 1.91 C ATOM 971 CD PRO A 64 -6.660 -19.846 -15.838 1.00 1.79 C ATOM 0 HA PRO A 64 -9.134 -21.167 -17.502 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.702 -18.666 -16.444 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -9.514 -20.062 -15.402 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -7.532 -17.892 -16.038 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -7.862 -18.667 -14.502 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -5.711 -19.351 -16.045 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.497 -20.502 -14.983 1.00 1.79 H new ATOM 979 N LEU A 65 -9.494 -19.938 -19.529 1.00 1.22 N ATOM 980 CA LEU A 65 -9.792 -19.221 -20.759 1.00 1.24 C ATOM 981 C LEU A 65 -11.163 -19.635 -21.266 1.00 1.19 C ATOM 982 O LEU A 65 -11.506 -20.821 -21.221 1.00 1.82 O ATOM 983 CB LEU A 65 -8.733 -19.493 -21.825 1.00 1.39 C ATOM 984 CG LEU A 65 -8.403 -18.302 -22.725 1.00 1.86 C ATOM 985 CD1 LEU A 65 -6.918 -17.989 -22.674 1.00 2.46 C ATOM 986 CD2 LEU A 65 -8.841 -18.573 -24.154 1.00 2.34 C ATOM 0 H LEU A 65 -9.992 -20.823 -19.431 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.787 -18.152 -20.548 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.818 -19.821 -21.332 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -9.072 -20.319 -22.450 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.950 -17.434 -22.357 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.703 -17.139 -23.321 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.632 -17.748 -21.650 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.352 -18.856 -23.014 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -8.597 -17.713 -24.778 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -8.324 -19.455 -24.532 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -9.917 -18.746 -24.178 1.00 2.34 H new ATOM 998 N LYS A 66 -11.942 -18.656 -21.729 1.00 0.89 N ATOM 999 CA LYS A 66 -13.313 -18.894 -22.185 1.00 0.89 C ATOM 1000 C LYS A 66 -14.144 -19.523 -21.070 1.00 0.88 C ATOM 1001 O LYS A 66 -14.855 -20.504 -21.278 1.00 1.21 O ATOM 1002 CB LYS A 66 -13.327 -19.783 -23.436 1.00 1.03 C ATOM 1003 CG LYS A 66 -14.295 -19.308 -24.509 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.580 -18.526 -25.600 1.00 1.62 C ATOM 1005 CE LYS A 66 -14.397 -17.327 -26.055 1.00 1.99 C ATOM 1006 NZ LYS A 66 -14.280 -17.097 -27.520 1.00 2.42 N ATOM 0 H LYS A 66 -11.644 -17.683 -21.798 1.00 0.89 H new ATOM 0 HA LYS A 66 -13.756 -17.934 -22.448 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -12.322 -19.821 -23.856 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -13.590 -20.800 -23.146 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -14.802 -20.167 -24.949 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -15.063 -18.682 -24.056 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -12.611 -18.188 -25.231 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -13.387 -19.180 -26.451 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -15.444 -17.482 -25.795 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -14.064 -16.437 -25.521 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -14.852 -16.271 -27.788 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -13.284 -16.924 -27.766 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -14.622 -17.936 -28.031 1.00 2.42 H new ATOM 1020 N VAL A 67 -14.043 -18.942 -19.882 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.737 -19.456 -18.709 1.00 1.08 C ATOM 1022 C VAL A 67 -14.934 -18.333 -17.690 1.00 1.15 C ATOM 1023 O VAL A 67 -14.442 -17.225 -17.896 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.957 -20.642 -18.082 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -12.815 -20.157 -17.196 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -14.891 -21.567 -17.312 1.00 2.11 C ATOM 0 H VAL A 67 -13.483 -18.108 -19.705 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.715 -19.828 -19.014 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.517 -21.212 -18.901 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.292 -21.015 -16.774 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -12.120 -19.564 -17.790 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.216 -19.544 -16.389 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -14.317 -22.389 -16.884 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -15.378 -21.009 -16.512 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -15.647 -21.966 -17.988 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.645 -18.627 -16.605 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.962 -17.639 -15.569 1.00 1.15 C ATOM 1038 C LEU A 68 -14.710 -16.937 -15.033 1.00 1.14 C ATOM 1039 O LEU A 68 -14.735 -15.748 -14.738 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.692 -18.318 -14.406 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.220 -18.273 -14.479 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.798 -19.680 -14.417 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.783 -17.413 -13.356 1.00 2.02 C ATOM 0 H LEU A 68 -16.020 -19.557 -16.416 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.600 -16.885 -16.030 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.377 -19.361 -14.360 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.375 -17.848 -13.475 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.507 -17.825 -15.431 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.886 -19.629 -14.470 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.421 -20.266 -15.255 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.502 -20.154 -13.481 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.871 -17.393 -13.424 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.487 -17.831 -12.394 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.395 -16.398 -13.445 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.620 -17.682 -14.915 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.387 -17.151 -14.337 1.00 1.16 C ATOM 1057 C PHE A 69 -11.554 -16.402 -15.376 1.00 1.15 C ATOM 1058 O PHE A 69 -10.454 -15.937 -15.077 1.00 1.87 O ATOM 1059 CB PHE A 69 -11.554 -18.287 -13.743 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.169 -18.932 -12.532 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -12.114 -18.312 -11.293 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.801 -20.162 -12.633 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -12.678 -18.907 -10.180 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.366 -20.761 -11.522 1.00 1.81 C ATOM 1065 CZ PHE A 69 -13.305 -20.132 -10.296 1.00 1.60 C ATOM 0 H PHE A 69 -13.561 -18.656 -15.211 1.00 1.04 H new ATOM 0 HA PHE A 69 -12.668 -16.448 -13.553 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.400 -19.048 -14.508 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -10.571 -17.900 -13.475 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -11.625 -17.354 -11.196 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -12.853 -20.658 -13.591 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -12.628 -18.414 -9.220 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.854 -21.720 -11.614 1.00 1.81 H new ATOM 0 HZ PHE A 69 -13.747 -20.597 -9.427 1.00 1.60 H new ATOM 1075 N ALA A 70 -12.073 -16.283 -16.589 1.00 0.92 N ATOM 1076 CA ALA A 70 -11.328 -15.654 -17.669 1.00 0.94 C ATOM 1077 C ALA A 70 -12.245 -14.882 -18.600 1.00 0.91 C ATOM 1078 O ALA A 70 -12.530 -15.325 -19.717 1.00 1.09 O ATOM 1079 CB ALA A 70 -10.551 -16.694 -18.448 1.00 1.03 C ATOM 0 H ALA A 70 -13.003 -16.612 -16.849 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.629 -14.947 -17.222 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.999 -16.208 -19.253 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.852 -17.200 -17.782 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -11.242 -17.423 -18.871 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.717 -13.741 -18.124 1.00 1.05 N ATOM 1086 CA GLN A 71 -13.530 -12.832 -18.917 1.00 1.14 C ATOM 1087 C GLN A 71 -13.733 -11.538 -18.141 1.00 1.04 C ATOM 1088 O GLN A 71 -13.874 -11.572 -16.919 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.887 -13.458 -19.255 1.00 1.43 C ATOM 1090 CG GLN A 71 -15.179 -13.511 -20.747 1.00 1.89 C ATOM 1091 CD GLN A 71 -15.702 -14.863 -21.199 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -16.574 -14.946 -22.060 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -15.173 -15.929 -20.625 1.00 3.23 N ATOM 0 H GLN A 71 -12.546 -13.417 -17.172 1.00 1.05 H new ATOM 0 HA GLN A 71 -13.013 -12.626 -19.854 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -14.922 -14.470 -18.850 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -15.674 -12.889 -18.759 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -15.910 -12.742 -20.996 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -14.269 -13.276 -21.299 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -14.450 -15.819 -19.913 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -15.487 -16.862 -20.893 1.00 3.23 H new ATOM 1102 N PRO A 72 -13.712 -10.382 -18.824 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.957 -9.086 -18.187 1.00 1.26 C ATOM 1104 C PRO A 72 -15.381 -8.979 -17.644 1.00 1.21 C ATOM 1105 O PRO A 72 -15.640 -9.282 -16.481 1.00 1.62 O ATOM 1106 CB PRO A 72 -13.732 -8.068 -19.315 1.00 1.60 C ATOM 1107 CG PRO A 72 -12.994 -8.810 -20.376 1.00 1.77 C ATOM 1108 CD PRO A 72 -13.432 -10.242 -20.260 1.00 1.38 C ATOM 0 HA PRO A 72 -13.305 -8.926 -17.329 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -14.680 -7.683 -19.692 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -13.157 -7.211 -18.962 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -13.224 -8.410 -21.364 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -11.917 -8.719 -20.238 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -14.315 -10.445 -20.866 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -12.654 -10.931 -20.589 1.00 1.38 H new ATOM 1116 N THR A 73 -16.307 -8.556 -18.488 1.00 1.29 N ATOM 1117 CA THR A 73 -17.694 -8.456 -18.085 1.00 1.40 C ATOM 1118 C THR A 73 -18.371 -9.820 -18.155 1.00 1.25 C ATOM 1119 O THR A 73 -18.185 -10.567 -19.119 1.00 1.55 O ATOM 1120 CB THR A 73 -18.447 -7.449 -18.963 1.00 1.86 C ATOM 1121 OG1 THR A 73 -17.600 -7.004 -20.034 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.892 -6.251 -18.140 1.00 2.01 C ATOM 0 H THR A 73 -16.122 -8.278 -19.452 1.00 1.29 H new ATOM 0 HA THR A 73 -17.720 -8.103 -17.054 1.00 1.40 H new ATOM 0 HB THR A 73 -19.328 -7.942 -19.374 1.00 1.86 H new ATOM 0 HG1 THR A 73 -17.483 -6.033 -19.976 1.00 2.46 H new ATOM 0 HG21 THR A 73 -19.424 -5.547 -18.780 1.00 2.01 H new ATOM 0 HG22 THR A 73 -19.552 -6.585 -17.339 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.019 -5.761 -17.710 1.00 2.01 H new ATOM 1130 N ILE A 74 -19.158 -10.134 -17.136 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.798 -11.441 -17.023 1.00 1.13 C ATOM 1132 C ILE A 74 -20.801 -11.663 -18.157 1.00 1.08 C ATOM 1133 O ILE A 74 -21.087 -12.799 -18.526 1.00 1.12 O ATOM 1134 CB ILE A 74 -20.506 -11.596 -15.655 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -19.528 -11.300 -14.510 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -21.101 -12.990 -15.498 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.365 -12.266 -14.426 1.00 2.08 C ATOM 0 H ILE A 74 -19.371 -9.497 -16.369 1.00 1.12 H new ATOM 0 HA ILE A 74 -19.015 -12.196 -17.099 1.00 1.13 H new ATOM 0 HB ILE A 74 -21.322 -10.875 -15.615 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -19.139 -10.289 -14.631 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -20.073 -11.321 -13.566 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -21.592 -13.069 -14.528 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -21.830 -13.165 -16.289 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -20.307 -13.734 -15.565 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -17.721 -11.988 -13.592 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -18.742 -13.277 -14.272 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -17.794 -12.229 -15.353 1.00 2.08 H new ATOM 1149 N LYS A 75 -21.319 -10.567 -18.710 1.00 1.07 N ATOM 1150 CA LYS A 75 -22.250 -10.618 -19.837 1.00 1.12 C ATOM 1151 C LYS A 75 -21.717 -11.498 -20.978 1.00 1.02 C ATOM 1152 O LYS A 75 -22.489 -12.190 -21.649 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.547 -9.192 -20.342 1.00 1.25 C ATOM 1154 CG LYS A 75 -21.631 -8.717 -21.465 1.00 1.80 C ATOM 1155 CD LYS A 75 -21.117 -7.306 -21.227 1.00 2.44 C ATOM 1156 CE LYS A 75 -20.373 -6.779 -22.444 1.00 3.14 C ATOM 1157 NZ LYS A 75 -19.715 -5.475 -22.172 1.00 3.80 N ATOM 0 H LYS A 75 -21.106 -9.622 -18.391 1.00 1.07 H new ATOM 0 HA LYS A 75 -23.177 -11.072 -19.486 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.579 -9.151 -20.690 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.465 -8.499 -19.505 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -20.786 -9.399 -21.556 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -22.171 -8.751 -22.411 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -21.953 -6.646 -20.995 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -20.455 -7.299 -20.361 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -19.622 -7.506 -22.753 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -21.070 -6.667 -23.275 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -19.219 -5.151 -23.027 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -20.433 -4.773 -21.902 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -19.031 -5.586 -21.397 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.398 -11.491 -21.175 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.784 -12.245 -22.262 1.00 0.98 C ATOM 1173 C ALA A 76 -19.858 -13.744 -21.997 1.00 0.91 C ATOM 1174 O ALA A 76 -20.321 -14.517 -22.840 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.338 -11.810 -22.460 1.00 1.08 C ATOM 0 H ALA A 76 -19.738 -10.972 -20.596 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.340 -12.035 -23.176 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -17.894 -12.382 -23.275 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.308 -10.748 -22.704 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.776 -11.988 -21.543 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.427 -14.150 -20.809 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.419 -15.561 -20.452 1.00 0.97 C ATOM 1183 C LEU A 77 -20.834 -16.059 -20.194 1.00 1.04 C ATOM 1184 O LEU A 77 -21.078 -17.257 -20.172 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.528 -15.820 -19.229 1.00 1.15 C ATOM 1186 CG LEU A 77 -18.948 -15.113 -17.940 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -19.584 -16.098 -16.971 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -17.749 -14.432 -17.301 1.00 1.94 C ATOM 0 H LEU A 77 -19.080 -13.525 -20.081 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.004 -16.114 -21.295 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.504 -16.893 -19.041 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -17.510 -15.516 -19.473 1.00 1.15 H new ATOM 0 HG LEU A 77 -19.689 -14.353 -18.186 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -19.876 -15.575 -16.060 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -20.465 -16.544 -17.432 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -18.867 -16.882 -16.726 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -18.061 -13.932 -16.384 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.989 -15.177 -17.068 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.336 -13.697 -17.993 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.764 -15.134 -20.014 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.156 -15.486 -19.790 1.00 1.34 C ATOM 1202 C ALA A 78 -23.816 -15.925 -21.088 1.00 1.34 C ATOM 1203 O ALA A 78 -24.697 -16.782 -21.089 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.912 -14.314 -19.183 1.00 1.57 C ATOM 0 H ALA A 78 -21.578 -14.131 -20.019 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.187 -16.320 -19.089 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.953 -14.596 -19.022 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.458 -14.043 -18.230 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.868 -13.462 -19.861 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.368 -15.351 -22.199 1.00 1.27 N ATOM 1211 CA GLN A 79 -23.963 -15.646 -23.497 1.00 1.42 C ATOM 1212 C GLN A 79 -23.146 -16.687 -24.263 1.00 1.44 C ATOM 1213 O GLN A 79 -23.438 -16.983 -25.425 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.093 -14.363 -24.328 1.00 1.53 C ATOM 1215 CG GLN A 79 -22.762 -13.804 -24.816 1.00 1.65 C ATOM 1216 CD GLN A 79 -22.751 -13.542 -26.311 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -22.429 -12.443 -26.760 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -23.100 -14.554 -27.091 1.00 2.74 N ATOM 0 H GLN A 79 -22.599 -14.682 -22.227 1.00 1.27 H new ATOM 0 HA GLN A 79 -24.956 -16.060 -23.321 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -24.729 -14.563 -25.190 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -24.597 -13.604 -23.730 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -22.546 -12.876 -24.287 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -21.965 -14.505 -24.568 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -23.360 -15.450 -26.678 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -23.108 -14.438 -28.104 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.127 -17.244 -23.616 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.246 -18.199 -24.281 1.00 1.38 C ATOM 1229 C TYR A 80 -21.033 -19.470 -23.459 1.00 1.39 C ATOM 1230 O TYR A 80 -21.149 -20.578 -23.983 1.00 1.59 O ATOM 1231 CB TYR A 80 -19.893 -17.551 -24.581 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.848 -16.828 -25.906 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.347 -17.420 -27.056 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.302 -15.555 -26.006 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.305 -16.765 -28.271 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -19.258 -14.891 -27.216 1.00 2.18 C ATOM 1237 CZ TYR A 80 -19.772 -15.498 -28.344 1.00 2.42 C ATOM 1238 OH TYR A 80 -19.716 -14.846 -29.556 1.00 2.85 O ATOM 0 H TYR A 80 -21.892 -17.054 -22.642 1.00 1.23 H new ATOM 0 HA TYR A 80 -21.736 -18.486 -25.211 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.652 -16.847 -23.784 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.121 -18.320 -24.570 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -20.776 -18.410 -27.001 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -18.905 -15.076 -25.123 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -20.688 -17.244 -29.160 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -18.825 -13.904 -27.279 1.00 2.18 H new ATOM 0 HH TYR A 80 -19.313 -13.961 -29.433 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.718 -19.307 -22.180 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.325 -20.432 -21.335 1.00 1.39 C ATOM 1250 C VAL A 81 -21.383 -20.756 -20.281 1.00 1.35 C ATOM 1251 O VAL A 81 -21.813 -21.901 -20.155 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.985 -20.148 -20.620 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.363 -21.440 -20.111 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.022 -19.409 -21.540 1.00 1.72 C ATOM 0 H VAL A 81 -20.727 -18.406 -21.703 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.216 -21.290 -21.999 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.189 -19.507 -19.763 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.420 -21.218 -19.611 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -19.043 -21.919 -19.407 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.179 -22.111 -20.950 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.087 -19.221 -21.013 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -17.825 -20.016 -22.424 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.464 -18.460 -21.843 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.808 -19.738 -19.535 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.725 -19.927 -18.409 1.00 1.52 C ATOM 1266 C ALA A 82 -24.098 -20.408 -18.863 1.00 1.59 C ATOM 1267 O ALA A 82 -24.890 -20.894 -18.059 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.860 -18.637 -17.619 1.00 1.66 C ATOM 0 H ALA A 82 -21.531 -18.769 -19.690 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.300 -20.701 -17.770 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.544 -18.791 -16.785 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.883 -18.340 -17.237 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -23.249 -17.852 -18.268 1.00 1.66 H new ATOM 1274 N THR A 83 -24.374 -20.268 -20.148 1.00 1.64 N ATOM 1275 CA THR A 83 -25.627 -20.732 -20.717 1.00 1.83 C ATOM 1276 C THR A 83 -25.620 -22.252 -20.880 1.00 2.01 C ATOM 1277 O THR A 83 -26.671 -22.881 -21.026 1.00 2.41 O ATOM 1278 CB THR A 83 -25.876 -20.067 -22.076 1.00 2.14 C ATOM 1279 OG1 THR A 83 -24.806 -19.150 -22.359 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.205 -19.329 -22.076 1.00 2.65 C ATOM 0 H THR A 83 -23.742 -19.834 -20.821 1.00 1.64 H new ATOM 0 HA THR A 83 -26.430 -20.457 -20.033 1.00 1.83 H new ATOM 0 HB THR A 83 -25.912 -20.838 -22.846 1.00 2.14 H new ATOM 0 HG1 THR A 83 -24.823 -18.417 -21.709 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.363 -18.864 -23.049 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.012 -20.033 -21.875 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.194 -18.560 -21.304 1.00 2.65 H new ATOM 1288 N ARG A 84 -24.428 -22.834 -20.843 1.00 2.19 N ATOM 1289 CA ARG A 84 -24.271 -24.271 -20.975 1.00 2.75 C ATOM 1290 C ARG A 84 -24.357 -24.939 -19.610 1.00 3.36 C ATOM 1291 O ARG A 84 -23.341 -25.245 -18.989 1.00 4.13 O ATOM 1292 CB ARG A 84 -22.932 -24.600 -21.637 1.00 3.41 C ATOM 1293 CG ARG A 84 -23.022 -25.717 -22.661 1.00 3.80 C ATOM 1294 CD ARG A 84 -23.695 -25.247 -23.938 1.00 4.57 C ATOM 1295 NE ARG A 84 -24.613 -26.248 -24.475 1.00 5.32 N ATOM 1296 CZ ARG A 84 -24.559 -26.715 -25.723 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -23.602 -26.305 -26.550 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -25.452 -27.603 -26.138 1.00 7.09 N ATOM 0 H ARG A 84 -23.552 -22.326 -20.722 1.00 2.19 H new ATOM 0 HA ARG A 84 -25.076 -24.652 -21.604 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -22.545 -23.704 -22.122 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -22.214 -24.881 -20.867 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -22.021 -26.084 -22.889 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -23.580 -26.553 -22.241 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -24.240 -24.324 -23.741 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -22.935 -25.015 -24.684 1.00 4.57 H new ATOM 0 HE ARG A 84 -25.339 -26.612 -23.858 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -22.906 -25.631 -26.231 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -23.564 -26.664 -27.504 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -26.180 -27.929 -25.503 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -25.411 -27.960 -27.093 1.00 7.09 H new ATOM 1312 N SER A 85 -25.575 -25.127 -19.130 1.00 3.58 N ATOM 1313 CA SER A 85 -25.812 -25.803 -17.865 1.00 4.69 C ATOM 1314 C SER A 85 -27.139 -26.543 -17.926 1.00 5.43 C ATOM 1315 O SER A 85 -28.003 -26.129 -18.730 1.00 5.80 O ATOM 1316 CB SER A 85 -25.819 -24.803 -16.705 1.00 5.10 C ATOM 1317 OG SER A 85 -24.787 -23.840 -16.849 1.00 4.66 O ATOM 1318 OXT SER A 85 -27.309 -27.538 -17.189 1.00 5.98 O ATOM 0 H SER A 85 -26.424 -24.817 -19.603 1.00 3.58 H new ATOM 0 HA SER A 85 -25.006 -26.516 -17.692 1.00 4.69 H new ATOM 0 HB2 SER A 85 -26.785 -24.300 -16.661 1.00 5.10 H new ATOM 0 HB3 SER A 85 -25.694 -25.335 -15.762 1.00 5.10 H new ATOM 0 HG SER A 85 -25.154 -23.024 -17.248 1.00 4.66 H new TER 1324 SER A 85